Structure of PDB 5ta9 Chain B Binding Site BS02

Receptor Information

>5ta9 Chain B (length=369) Species: 820 (Bacteroides uniformis)

YDQRKADSLGIPKGNKLSAAMKRAMEWPQRDNSWFFEYKMMPLKGDLAYE
EGIVRRDPSAMIKVGDKYYVWYSKSYGETQGFAGDVENEKVFPWDRCDIW
YATSKDGITWKEEGVAVKRGEKGAYDDRSVFTPEVMQWNGKYYLCYQTVK
SPYTVRVKENVAMAWADSPDGPWEKTDKPVLTPSDNGVWEGEEDNRFKVK
AKGDFDSHKVHDPCIIPYNGKFYLYYKGERMGEEITWGGREIKHGVAIAD
NPLGPYTKSEYNPISNSGHEICVWPYKGGIASLITTDGPEKNTLQWSPDG
INFEIMSVIPGAPHAIGLNRSADNDKEPTEILRWGLTHQYITYNYQCIMR
FETWTKQTHTAIGESTKRK

Ligand information

• Ligand ID: AAL
• InChI: InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m0/s1
• InChIKey: DCQFFOLNJVGHLW-DSOBHZJASA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O
  ACDLabs 11.02: OC2OC1C(O)C(OC1)C2O
  OpenEye OEToolkits 1.7.0: C1C2C(C(O1)C(C(O2)O)O)O
  CACTVS 3.352: O[CH]1O[CH]2CO[CH]([CH]1O)[CH]2O
  CACTVS 3.352: O[C@@H]1O[C@H]2CO[C@@H]([C@@H]1O)[C@@H]2O
• Formula: C6 H10 O5
• Name: 3,6-anhydro-alpha-L-galactopyranose;
  3,6-ANHYDRO-L-GALACTOSE;
  3,6-anhydro-alpha-L-galactose;
  3,6-anhydro-galactose
• ZINC: ZINC000005851684
• PDB chain: 5ta9 Chain B Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ta9 Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): R89 W127 T165 Q180 H244 D245 K260 H302 E303
• Binding residue (residue number reindexed from 1): R56 W94 T132 Q147 H211 D212 K227 H269 E270
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0016798 hydrolase activity, acting on glycosyl bonds

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:5ta9, PDBe:5ta9, PDBj:5ta9
• PDBsum: 5ta9
• PubMed: 29535379
• UniProt: A0A2D0TCD6